SCHEMBL12841672

SCHEMBL12841672

C=C1c2c(Cl)ccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)/C(=C(/N)O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 14/20 0.62
KDM4E B2RXH2 11/20 0.62
MEN1 O00255 9/20 0.62
KMT2A Q03164 9/20 0.62
USP2 O75604 8/20 0.62
HSD17B10 Q99714 8/20 0.62
RECQL P46063 7/20 0.62
HPGD P15428 7/20 0.62
ALDH1A1 P00352 7/20 0.62
THRB P10828 6/20 0.62
MAPT P10636 6/20 0.62
LMNA P02545 4/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
CASP7 P55210 2/20 0.62
CASP1 P29466 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NR1I2 O75469 3/20 0.55
MC4R P32245 1/20 0.55
SIRT5 Q9NXA8 1/20 0.55
POLB P06746 4/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1650332 1.00 TDP1 (0.62) TDP1KDM4EMEN1KMT2AUSP2
SCHEMBL3446 1.00 TDP1 (0.62) TDP1KDM4EMEN1KMT2AUSP2
Sulfosalicylic SCHEMBL23359126 0.88 TDP1 (0.81) TDP1KDM4EMEN1KMT2AUSP2
SCHEMBL4015 0.86 TDP1 (0.73) TDP1KDM4EMEN1KMT2AUSP2
SCHEMBL23247761 0.85 TDP1 (0.78) TDP1KDM4EMEN1KMT2AUSP2
SCHEMBL29487299 0.85 TDP1 (0.78) TDP1KDM4EMEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL20398184 0.84 TDP1 (0.71) TDP1KDM4EMEN1KMT2AUSP2
Sulfosalicylic SCHEMBL29674900 0.77 TDP1 (1.00) TDP1KDM4EMEN1KMT2AUSP2
Isoniazid SCHEMBL5791571 0.76 TDP1 (0.61) TDP1KDM4EMEN1KMT2AUSP2
SCHEMBL23005369 0.73 TDP1 (0.73) TDP1KDM4EMEN1KMT2AUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011031471-A2 THE FUNGAL SREBP PATHWAY AS A TARGET FOR ANTI-FUNGAL AGENTS THE JOHNS HOPKINS UNIVERSITY (US) 2011-03-17 WO disclosed